UCSF

ZINC33755056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 12.28 -44.34 0 4 -1 66 311.357 8
Lo Low (pH 4.5-6) 3.91 10.3 -8.21 1 4 0 64 312.365 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )